SCHEMBL17853602

SCHEMBL17853602

Cc1ccccc1-c1nc(-c2ccc(-c3cccnc3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 5/20 0.49
▸ WDR48 Q8TAF3 5/20 0.49
▸ KDM4E B2RXH2 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ DHODH Q02127 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP11B2 P19099 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17853600 0.89 CYP1A2 (0.41) USP1WDR48KDM4ETSHRSMN1; SMN2
SCHEMBL24812006 0.89 KDM4E (0.44) KDM4ETSHRSMN1; SMN2NPC1HPGD
SCHEMBL17853570 0.88 KDM4E (0.46) USP1WDR48KDM4ESMN1; SMN2HPGD
SCHEMBL17853693 0.86 DHODH (0.50) KDM4ETSHRSMN1; SMN2NPC1HPGD
SCHEMBL17853486 0.86 DHODH (0.50) KDM4ETSHRSMN1; SMN2NPC1HPGD
SCHEMBL19397646 0.86 DHODH (0.50) KDM4ETSHRSMN1; SMN2NPC1HPGD
SCHEMBL17853546 0.86 DHODH (0.50) KDM4ETSHRSMN1; SMN2NPC1HPGD
SCHEMBL17853561 0.86 DHODH (0.50) KDM4ETSHRSMN1; SMN2NPC1HPGD
SCHEMBL17853564 0.86 DHODH (0.50) KDM4ETSHRSMN1; SMN2NPC1HPGD
SCHEMBL17853586 0.86 CYP11B1 (0.53) KDM4ESMN1; SMN2HPGDRAB9ADHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 USP1 2936/4885WDR48 4677/4885KDM4E 2180/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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